(3S)-3-phenyl-N-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]pentanamide

C20H23N5O — CID 95628473

IUPAC(3S)-3-phenyl-N-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]pentanamide
SMILESCC[C@@H](CC(=O)N[C@H](C)c1nnnn1-c1ccccc1)c1ccccc1
InChIInChI=1S/C20H23N5O/c1-3-16(17-10-6-4-7-11-17)14-19(26)21-15(2)20-22-23-24-25(20)18-12-8-5-9-13-18/h4-13,15-16H,3,14H2,1-2H3,(H,21,26)/t15-,16+/m1/s1
InChIKeyKQIQVJHWWPBWSX-CVEARBPZSA-N
MW349.44 g/mol
LogP3.42
Rot. Bonds7

About (3S)-3-phenyl-N-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]pentanamide

(3S)-3-phenyl-N-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]pentanamide (PubChem CID 95628473) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is (3S)-3-phenyl-N-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]pentanamide.

Molecular Properties

Compound Name(3S)-3-phenyl-N-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]pentanamide
PubChem CID95628473
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name(3S)-3-phenyl-N-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]pentanamide
SMILESCC[C@@H](CC(=O)N[C@H](C)c1nnnn1-c1ccccc1)c1ccccc1
InChIInChI=1S/C20H23N5O/c1-3-16(17-10-6-4-7-11-17)14-19(26)21-15(2)20-22-23-24-25(20)18-12-8-5-9-13-18/h4-13,15-16H,3,14H2,1-2H3,(H,21,26)/t15-,16+/m1/s1
InChIKeyKQIQVJHWWPBWSX-CVEARBPZSA-N
XLogP3.42
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,6-dichlorophenyl)-N-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]acetamide
CID 99160430
(2R)-2-amino-N-[1-(1-phenyltetrazol-5-yl)ethyl]propanamide
CID 119328864
N-[1-(1-phenyltetrazol-5-yl)ethyl]-2-thiophen-2-ylacetamide
CID 122160147
N-[1-(1-phenyltetrazol-5-yl)ethyl]propan-1-amine
CID 103710980
(2S)-2-(3-phenylpentanoylamino)propanoic acid
CID 119238309
(3aS,7aS)-N-[(1S)-1-(1-phenyltetrazol-5-yl)ethyl]-1,3,3a,4,7,7a-hexahydroisoindole-2-carboxamide
CID 96518819
N-[1-(1-phenyltetrazol-5-yl)ethyl]-1,3,3a,4,7,7a-hexahydroisoindole-2-carboxamide
CID 71869849
(2S)-4-methyl-2-(3-phenylpentanoylamino)pentanoic acid
CID 119362028
3-(1-phenyltetrazol-5-yl)pentan-2-ol
CID 63201375
2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(1-phenylethyl)acetamide
CID 18076417
(2R)-2-phenyl-2-(3-phenylpentanoylamino)acetic acid
CID 119368014
(2S,5R)-5-(aminomethyl)-N-[1-(1-phenyltetrazol-5-yl)ethyl]oxolane-2-carboxamide
CID 120793976

Frequently Asked Questions

What is the IUPAC name of (3S)-3-phenyl-N-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]pentanamide?
The IUPAC name of (3S)-3-phenyl-N-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]pentanamide (CID 95628473) is (3S)-3-phenyl-N-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]pentanamide.
What is the SMILES notation for (3S)-3-phenyl-N-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]pentanamide?
The canonical SMILES for (3S)-3-phenyl-N-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]pentanamide is CC[C@@H](CC(=O)N[C@H](C)c1nnnn1-c1ccccc1)c1ccccc1.
What is the InChIKey of (3S)-3-phenyl-N-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]pentanamide?
The InChIKey is KQIQVJHWWPBWSX-CVEARBPZSA-N. The full InChI is InChI=1S/C20H23N5O/c1-3-16(17-10-6-4-7-11-17)14-19(26)21-15(2)20-22-23-24-25(20)18-12-8-5-9-13-18/h4-13,15-16H,3,14H2,1-2H3,(H,21,26)/t15-,16+/m1/s1.
What are the key properties of (3S)-3-phenyl-N-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]pentanamide?
(3S)-3-phenyl-N-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]pentanamide has a molecular weight of 349.44 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-phenyl-N-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]pentanamide is sourced from PubChem (CID 95628473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).